Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10670103 | 0.86 | IDO1 (0.57) | TDP1IDO1NPC1RAB9ALMNA | |
| SCHEMBL198134 | 0.85 | TSHR (0.52) | TDP1IDO1CA1CA2CA9 | |
| SCHEMBL8102236 | 0.84 | IDO1 (0.44) | TDP1IDO1CA1CA2CA9 | |
| SCHEMBL8551536 | 0.81 | TDP1 (0.47) | TDP1IDO1CA1CA2CA9 | |
| SCHEMBL8532095 | 0.80 | MEN1 (0.46) | TDP1IDO1CA1CA2CA9 | |
| SCHEMBL12815699 | 0.78 | CA1 (0.47) | TDP1IDO1CA1CA2CA9 | |
| SCHEMBL1066576 | 0.78 | TSHR (0.67) | TDP1IDO1CA1CA2CA9 | |
| Biphenyl SCHEMBL9113497 | 0.78 | CA1 (0.47) | TDP1IDO1CA1CA2CA9 | |
| SCHEMBL902924 | 0.76 | TDP1 (0.54) | TDP1IDO1CA1CA2CA9 | |
| SCHEMBL3328934 | 0.76 | CA1 (0.50) | TDP1IDO1CA1CA2CA9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0882030-A1 | 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK PATENT GmbH (DE) | 1998-12-09 | — | — | EP | disclosed |
| WO-1997030982-A1 | 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1997-08-28 | — | — | WO | disclosed |